N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine

C157H93N5 — CID 159843414

IUPACN-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
SMILESc1cc2ccc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(N(c4cc5ccc6cccc7ccc(c4)c5c67)c4cc5ccc6cccc7ccc(c4)c5c67)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cc4ccc5cccc6ccc(c3)c4c56)c3cc4ccc5cccc6ccc(c3)c4c56)cc21
InChIInChI=1S/C57H33N.2C50H30N2/c1-4-16-49-45(13-1)46-14-2-5-17-50(46)57(49)51-18-6-3-15-47(51)48-28-27-42(33-52(48)57)58(43-29-38-23-19-34-9-7-10-35-20-24-39(30-43)55(38)53(34)35)44-31-40-25-21-36-11-8-12-37-22-26-41(32-44)56(40)54(36)37;1-3-13-45-43(11-1)44-12-2-4-14-46(44)52(45)40-25-23-39(24-26-40)51(41-27-35-19-15-31-7-5-8-32-16-20-36(28-41)49(35)47(31)32)42-29-37-21-17-33-9-6-10-34-18-22-38(30-42)50(37)48(33)34;1-2-12-39(13-3-1)52-45-15-5-4-14-43(45)44-30-40(24-25-46(44)52)51(41-26-35-20-16-31-8-6-9-32-17-21-36(27-41)49(35)47(31)32)42-28-37-22-18-33-10-7-11-34-19-23-38(29-42)50(37)48(33)34/h1-33H;2*1-30H
InChIKeyNOZBZXAHFCXDKB-UHFFFAOYSA-N
MW2049.51 g/mol
LogP43.39
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine

N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine (PubChem CID 159843414) has the molecular formula C157H93N5 and a molecular weight of 2049.51 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
PubChem CID159843414
Molecular FormulaC157H93N5
Molecular Weight2049.51 g/mol
Exact Mass2047.74
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
SMILESc1cc2ccc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(N(c4cc5ccc6cccc7ccc(c4)c5c67)c4cc5ccc6cccc7ccc(c4)c5c67)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cc4ccc5cccc6ccc(c3)c4c56)c3cc4ccc5cccc6ccc(c3)c4c56)cc21
InChIInChI=1S/C57H33N.2C50H30N2/c1-4-16-49-45(13-1)46-14-2-5-17-50(46)57(49)51-18-6-3-15-47(51)48-28-27-42(33-52(48)57)58(43-29-38-23-19-34-9-7-10-35-20-24-39(30-43)55(38)53(34)35)44-31-40-25-21-36-11-8-12-37-22-26-41(32-44)56(40)54(36)37;1-3-13-45-43(11-1)44-12-2-4-14-46(44)52(45)40-25-23-39(24-26-40)51(41-27-35-19-15-31-7-5-8-32-16-20-36(28-41)49(35)47(31)32)42-29-37-21-17-33-9-6-10-34-18-22-38(30-42)50(37)48(33)34;1-2-12-39(13-3-1)52-45-15-5-4-14-43(45)44-30-40(24-25-46(44)52)51(41-26-35-20-16-31-8-6-9-32-17-21-36(27-41)49(35)47(31)32)42-28-37-22-18-33-10-7-11-34-19-23-38(29-42)50(37)48(33)34/h1-33H;2*1-30H
InChIKeyNOZBZXAHFCXDKB-UHFFFAOYSA-N
XLogP43.39
TPSA19.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002049.51
LogP ≤ 543.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine with MolForge

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Related Compounds

9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493597
N-naphthalen-1-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158680730
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
9-phenyl-N-(4-phenylphenyl)-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylcarbazol-3-amine
CID 135229858
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 90306200
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine (CID 159843414) is N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine is c1cc2ccc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(N(c4cc5ccc6cccc7ccc(c4)c5c67)c4cc5ccc6cccc7ccc(c4)c5c67)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cc4ccc5cccc6ccc(c3)c4c56)c3cc4ccc5cccc6ccc(c3)c4c56)cc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine?
The InChIKey is NOZBZXAHFCXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N.2C50H30N2/c1-4-16-49-45(13-1)46-14-2-5-17-50(46)57(49)51-18-6-3-15-47(51)48-28-27-42(33-52(48)57)58(43-29-38-23-19-34-9-7-10-35-20-24-39(30-43)55(38)53(34)35)44-31-40-25-21-36-11-8-12-37-22-26-41(32-44)56(40)54(36)37;1-3-13-45-43(11-1)44-12-2-4-14-46(44)52(45)40-25-23-39(24-26-40)51(41-27-35-19-15-31-7-5-8-32-16-20-36(28-41)49(35)47(31)32)42-29-37-21-17-33-9-6-10-34-18-22-38(30-42)50(37)48(33)34;1-2-12-39(13-3-1)52-45-15-5-4-14-43(45)44-30-40(24-25-46(44)52)51(41-26-35-20-16-31-8-6-9-32-17-21-36(27-41)49(35)47(31)32)42-28-37-22-18-33-10-7-11-34-19-23-38(29-42)50(37)48(33)34/h1-33H;2*1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine?
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine has a molecular weight of 2049.51 g/mol, XLogP of 43.39, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine is sourced from PubChem (CID 159843414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).