11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine

C86H68N4 — CID 160909742

IUPAC11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21
InChIInChI=1S/2C43H34N2/c1-43(2)41-30-37(45(34-19-11-5-12-20-34)35-21-13-6-14-22-35)25-28-39(41)40-26-23-31-29-36(24-27-38(31)42(40)43)44(32-15-7-3-8-16-32)33-17-9-4-10-18-33;1-43(2)41-29-32-27-37(44(33-15-7-3-8-16-33)34-17-9-4-10-18-34)24-23-31(32)28-40(41)39-26-25-38(30-42(39)43)45(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h2*3-30H,1-2H3
InChIKeySQPPXHYPWAVKEG-UHFFFAOYSA-N
MW1157.52 g/mol
LogP24.17
Rot. Bonds12

About 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine

11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine (PubChem CID 160909742) has the molecular formula C86H68N4 and a molecular weight of 1157.52 g/mol. Its IUPAC name is 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine.

Molecular Properties

Compound Name11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
PubChem CID160909742
Molecular FormulaC86H68N4
Molecular Weight1157.52 g/mol
Exact Mass1156.54
IUPAC Name11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21
InChIInChI=1S/2C43H34N2/c1-43(2)41-30-37(45(34-19-11-5-12-20-34)35-21-13-6-14-22-35)25-28-39(41)40-26-23-31-29-36(24-27-38(31)42(40)43)44(32-15-7-3-8-16-32)33-17-9-4-10-18-33;1-43(2)41-29-32-27-37(44(33-15-7-3-8-16-33)34-17-9-4-10-18-34)24-23-31(32)28-40(41)39-26-25-38(30-42(39)43)45(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h2*3-30H,1-2H3
InChIKeySQPPXHYPWAVKEG-UHFFFAOYSA-N
XLogP24.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.52
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine with MolForge

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Related Compounds

11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;11,11-dimethyl-N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-8-amine;11,11-dimethyl-N,N-diphenyl-8-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-2-amine
CID 163735962
N-(11,11-dimethylbenzo[a]fluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 159039363
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290147
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-17-amine
CID 130290091
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148
3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
CID 140774313
[4-(N-[2-(N-(4-iodosulfanylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)phenyl] thiohypoiodite
CID 126615908
12,12-dimethyl-7-N,17-N-bis(6-methyldibenzofuran-4-yl)-7-N,17-N-diphenylpentacyclo[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 90140416
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine
CID 159784730

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine?
The IUPAC name of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine (CID 160909742) is 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine.
What is the SMILES notation for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine?
The canonical SMILES for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21.
What is the InChIKey of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine?
The InChIKey is SQPPXHYPWAVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H34N2/c1-43(2)41-30-37(45(34-19-11-5-12-20-34)35-21-13-6-14-22-35)25-28-39(41)40-26-23-31-29-36(24-27-38(31)42(40)43)44(32-15-7-3-8-16-32)33-17-9-4-10-18-33;1-43(2)41-29-32-27-37(44(33-15-7-3-8-16-33)34-17-9-4-10-18-34)24-23-31(32)28-40(41)39-26-25-38(30-42(39)43)45(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h2*3-30H,1-2H3.
What are the key properties of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine?
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine has a molecular weight of 1157.52 g/mol, XLogP of 24.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine is sourced from PubChem (CID 160909742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).