bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine

C200H131BBr4N6O2 — CID 162004542

IUPACbis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine
SMILESBrc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(Br)ccc4ccc1c2c43.OB(O)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c4ccc5cccc2c5c34)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H38N2.2C42H26BrN.C26H20BNO2.C16H8Br2.C16H13N/c1-2-18-48(19-3-1)60(52-32-23-41-13-6-9-16-46(41)37-52)56-38-47-27-33-53(54-34-26-43-17-10-20-55(56)57(43)58(47)54)42-24-28-49(29-25-42)59(50-30-21-39-11-4-7-14-44(39)35-50)51-31-22-40-12-5-8-15-45(40)36-51;2*43-40-24-16-31-14-22-38-37(21-13-30-15-23-39(40)42(31)41(30)38)29-11-17-34(18-12-29)44(35-19-9-27-5-1-3-7-32(27)25-35)36-20-10-28-6-2-4-8-33(28)26-36;29-27(30)23-11-15-24(16-12-23)28(25-13-9-19-5-1-3-7-21(19)17-25)26-14-10-20-6-2-4-8-22(20)18-26;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-38H;2*1-26H;1-18,29-30H;1-8H;1-12,17H
InChIKeyYSQQCTBYVKPFBI-UHFFFAOYSA-N
MW2980.72 g/mol
LogP58.06
Rot. Bonds21

About bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine

bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine (PubChem CID 162004542) has the molecular formula C200H131BBr4N6O2 and a molecular weight of 2980.72 g/mol. Its IUPAC name is bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Namebis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine
PubChem CID162004542
Molecular FormulaC200H131BBr4N6O2
Molecular Weight2980.72 g/mol
Exact Mass2974.72
IUPAC Namebis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine
SMILESBrc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(Br)ccc4ccc1c2c43.OB(O)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c4ccc5cccc2c5c34)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H38N2.2C42H26BrN.C26H20BNO2.C16H8Br2.C16H13N/c1-2-18-48(19-3-1)60(52-32-23-41-13-6-9-16-46(41)37-52)56-38-47-27-33-53(54-34-26-43-17-10-20-55(56)57(43)58(47)54)42-24-28-49(29-25-42)59(50-30-21-39-11-4-7-14-44(39)35-50)51-31-22-40-12-5-8-15-45(40)36-51;2*43-40-24-16-31-14-22-38-37(21-13-30-15-23-39(40)42(31)41(30)38)29-11-17-34(18-12-29)44(35-19-9-27-5-1-3-7-32(27)25-35)36-20-10-28-6-2-4-8-33(28)26-36;29-27(30)23-11-15-24(16-12-23)28(25-13-9-19-5-1-3-7-21(19)17-25)26-14-10-20-6-2-4-8-22(20)18-26;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-38H;2*1-26H;1-18,29-30H;1-8H;1-12,17H
InChIKeyYSQQCTBYVKPFBI-UHFFFAOYSA-N
XLogP58.06
TPSA68.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002980.72
LogP ≤ 558.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-phenyl-4-[6-[4-(N-phenylanilino)phenyl]pyren-1-yl]aniline
CID 90215363
1-bromo-6-naphthalen-2-ylpyrene;1,6-dibromopyrene;naphthalen-2-ylboronic acid
CID 161047613
N-(4-pyren-1-ylphenyl)naphthalen-2-amine
CID 142720547
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
8-[4-[4-(8-anilinopyren-1-yl)-N-phenanthren-9-ylanilino]phenyl]-N-phenylpyren-1-amine
CID 163495435
N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
CID 143540583
4-bromo-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159554191
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412644
N-[4-(6-bromopyren-1-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90224378
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine?
The IUPAC name of bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine (CID 162004542) is bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine.
What is the SMILES notation for bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine?
The canonical SMILES for bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine is Brc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)ccc4ccc1c2c43.Brc1ccc2ccc3c(Br)ccc4ccc1c2c43.OB(O)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c4ccc5cccc2c5c34)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine?
The InChIKey is YSQQCTBYVKPFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2.2C42H26BrN.C26H20BNO2.C16H8Br2.C16H13N/c1-2-18-48(19-3-1)60(52-32-23-41-13-6-9-16-46(41)37-52)56-38-47-27-33-53(54-34-26-43-17-10-20-55(56)57(43)58(47)54)42-24-28-49(29-25-42)59(50-30-21-39-11-4-7-14-44(39)35-50)51-31-22-40-12-5-8-15-45(40)36-51;2*43-40-24-16-31-14-22-38-37(21-13-30-15-23-39(40)42(31)41(30)38)29-11-17-34(18-12-29)44(35-19-9-27-5-1-3-7-32(27)25-35)36-20-10-28-6-2-4-8-33(28)26-36;29-27(30)23-11-15-24(16-12-23)28(25-13-9-19-5-1-3-7-21(19)17-25)26-14-10-20-6-2-4-8-22(20)18-26;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-38H;2*1-26H;1-18,29-30H;1-8H;1-12,17H.
What are the key properties of bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine?
bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine has a molecular weight of 2980.72 g/mol, XLogP of 58.06, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[4-(6-bromopyren-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine);1,6-dibromopyrene;[4-(dinaphthalen-2-ylamino)phenyl]boronic acid;8-[4-(dinaphthalen-2-ylamino)phenyl]-N-naphthalen-2-yl-N-phenylpyren-4-amine;N-phenylnaphthalen-2-amine is sourced from PubChem (CID 162004542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).