N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine

C53H35NS2 — CID 155361224

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)sc3cc4c(cc35)sc3cc5ccccc5cc34)cc21
InChIInChI=1S/C53H35NS2/c1-53(2)47-15-9-8-14-41(47)42-23-22-40(29-48(42)53)54(38-19-16-33(17-20-38)32-10-4-3-5-11-32)39-21-18-36-26-44-46-31-51-45(30-52(46)56-50(44)28-37(36)24-39)43-25-34-12-6-7-13-35(34)27-49(43)55-51/h3-31H,1-2H3
InChIKeyMSIUYVQTYVHULV-UHFFFAOYSA-N
MW750.00 g/mol
LogP16.17
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine (PubChem CID 155361224) has the molecular formula C53H35NS2 and a molecular weight of 750.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine
PubChem CID155361224
Molecular FormulaC53H35NS2
Molecular Weight750.00 g/mol
Exact Mass749.22
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)sc3cc4c(cc35)sc3cc5ccccc5cc34)cc21
InChIInChI=1S/C53H35NS2/c1-53(2)47-15-9-8-14-41(47)42-23-22-40(29-48(42)53)54(38-19-16-33(17-20-38)32-10-4-3-5-11-32)39-21-18-36-26-44-46-31-51-45(30-52(46)56-50(44)28-37(36)24-39)43-25-34-12-6-7-13-35(34)27-49(43)55-51/h3-31H,1-2H3
InChIKeyMSIUYVQTYVHULV-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.00
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine (CID 155361224) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)sc3cc4c(cc35)sc3cc5ccccc5cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine?
The InChIKey is MSIUYVQTYVHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS2/c1-53(2)47-15-9-8-14-41(47)42-23-22-40(29-48(42)53)54(38-19-16-33(17-20-38)32-10-4-3-5-11-32)39-21-18-36-26-44-46-31-51-45(30-52(46)56-50(44)28-37(36)24-39)43-25-34-12-6-7-13-35(34)27-49(43)55-51/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine has a molecular weight of 750.00 g/mol, XLogP of 16.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine is sourced from PubChem (CID 155361224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).