N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine

C108H72N2 — CID 134432721

IUPACN-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)C3(c4ccccc4)c4ccccc4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6cccc7ccc3c5c67)c3ccccc43)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C108H72N2/c1-105(2)87-41-19-15-33-75(87)77-57-53-73(61-91(77)105)109(95-59-51-69-47-45-65-25-23-27-67-49-55-85(95)101(69)99(65)67)97-63-93-103(81-37-13-11-35-79(81)97)83-39-17-21-43-89(83)107(93,71-29-7-5-8-30-71)108(72-31-9-6-10-32-72)90-44-22-18-40-84(90)104-82-38-14-12-36-80(82)98(64-94(104)108)110(74-54-58-78-76-34-16-20-42-88(76)106(3,4)92(78)62-74)96-60-52-70-48-46-66-26-24-28-68-50-56-86(96)102(70)100(66)68/h5-64H,1-4H3
InChIKeyPYHWIVIYLRZDJE-UHFFFAOYSA-N
MW1397.78 g/mol
LogP28.67
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine

N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine (PubChem CID 134432721) has the molecular formula C108H72N2 and a molecular weight of 1397.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
PubChem CID134432721
Molecular FormulaC108H72N2
Molecular Weight1397.78 g/mol
Exact Mass1396.57
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)C3(c4ccccc4)c4ccccc4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6cccc7ccc3c5c67)c3ccccc43)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C108H72N2/c1-105(2)87-41-19-15-33-75(87)77-57-53-73(61-91(77)105)109(95-59-51-69-47-45-65-25-23-27-67-49-55-85(95)101(69)99(65)67)97-63-93-103(81-37-13-11-35-79(81)97)83-39-17-21-43-89(83)107(93,71-29-7-5-8-30-71)108(72-31-9-6-10-32-72)90-44-22-18-40-84(90)104-82-38-14-12-36-80(82)98(64-94(104)108)110(74-54-58-78-76-34-16-20-42-88(76)106(3,4)92(78)62-74)96-60-52-70-48-46-66-26-24-28-68-50-56-86(96)102(70)100(66)68/h5-64H,1-4H3
InChIKeyPYHWIVIYLRZDJE-UHFFFAOYSA-N
XLogP28.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.78
LogP ≤ 528.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-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 167410938
N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
CID 134432412
N,N,7-triphenyl-7-[7-phenyl-5-(N-phenylanilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-amine
CID 134432446
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;2-N,7-N-di(anthracen-9-yl)-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-7-N-pyren-1-yl-2-N-pyren-4-ylfluorene-2,7-diamine;bis(9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine);9,9-dimethyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetra(pyren-1-yl)fluorene-2,7-diamine
CID 158806885
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[c]fluoren-4-amine
CID 146364512
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285163
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine (CID 134432721) is N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)C3(c4ccccc4)c4ccccc4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6cccc7ccc3c5c67)c3ccccc43)c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine?
The InChIKey is PYHWIVIYLRZDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H72N2/c1-105(2)87-41-19-15-33-75(87)77-57-53-73(61-91(77)105)109(95-59-51-69-47-45-65-25-23-27-67-49-55-85(95)101(69)99(65)67)97-63-93-103(81-37-13-11-35-79(81)97)83-39-17-21-43-89(83)107(93,71-29-7-5-8-30-71)108(72-31-9-6-10-32-72)90-44-22-18-40-84(90)104-82-38-14-12-36-80(82)98(64-94(104)108)110(74-54-58-78-76-34-16-20-42-88(76)106(3,4)92(78)62-74)96-60-52-70-48-46-66-26-24-28-68-50-56-86(96)102(70)100(66)68/h5-64H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine?
N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine has a molecular weight of 1397.78 g/mol, XLogP of 28.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine is sourced from PubChem (CID 134432721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).